SCHEMBL4044454

SCHEMBL4044454

CC(C)CC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.55
CTSS P25774 5/20 0.41
CTSL P07711 6/20 0.36
CTSB P07858 2/20 0.36
PREP P48147 2/20 0.34
FAP Q12884 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ELANE P08246 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4043745 0.93 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL4046048 0.92 CTSK (0.57) CTSKCTSSCTSLCTSB
SCHEMBL4045035 0.89 CTSK (0.45) CTSKCTSSCTSLCTSBCHRNB2
SCHEMBL4046431 0.88 CTSK (0.60) CTSKCTSSCTSBPREPFAP
SCHEMBL4045331 0.88 CTSK (0.43) CTSKCTSSCTSLCTSBPREP
SCHEMBL4046026 0.87 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL4049421 0.87 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL4045808 0.86 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL4045362 0.86 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL4050196 0.86 CTSK (0.56) CTSKCTSSCTSLCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed